3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one

C14H20OS — CID 114975969

IUPAC3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one
SMILESCc1cc(C(=O)CCC2CCCCC2)cs1
InChIInChI=1S/C14H20OS/c1-11-9-13(10-16-11)14(15)8-7-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3
InChIKeyUHGNVVQKDHKSFV-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.60
Rot. Bonds4

About 3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one

3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one (PubChem CID 114975969) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one
PubChem CID114975969
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one
SMILESCc1cc(C(=O)CCC2CCCCC2)cs1
InChIInChI=1S/C14H20OS/c1-11-9-13(10-16-11)14(15)8-7-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3
InChIKeyUHGNVVQKDHKSFV-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606145
1-(3-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-one
CID 65279859
3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one
CID 115481878
1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone
CID 58514712
3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one
CID 113319049
3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one
CID 114192912
3-cyclohexyl-1-(7-methylidene-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl)propan-1-one
CID 145472183
3-cyclohexyl-1-(furan-3-yl)propan-1-one
CID 114971693
4-cyclohexyl-1-(4-methylphenyl)butan-1-one
CID 10514463
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one
CID 114970802
1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one
CID 146008352
(5-methylthiophen-3-yl)-piperidin-2-ylmethanone
CID 116547920

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one (CID 114975969) is 3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one is Cc1cc(C(=O)CCC2CCCCC2)cs1.
What is the InChIKey of 3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one?
The InChIKey is UHGNVVQKDHKSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-11-9-13(10-16-11)14(15)8-7-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one?
3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one has a molecular weight of 236.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one is sourced from PubChem (CID 114975969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).